Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.52 |
| ▸ | CCR2 | P41597 | 4/20 | 0.51 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14565632 | 0.86 | KDM4E (0.59) | ALDH1A1CYP1A2POLBMCL1CNR2 | |
| SCHEMBL29750342 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL7894118 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL31486613 | 0.80 | KDM4E (0.57) | ALDH1A1MCL1CNR2MTNR1AMTNR1B | |
| SCHEMBL6750511 | 0.77 | ALDH1A1 (0.63) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL6754206 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL24896565 | 0.76 | CCR9 (0.39) | MCL1CCR2NTRK1 | |
| SCHEMBL700800 | 0.76 | ALDH1A1 (0.69) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL6752406 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL2933072 | 0.76 | MCL1 (0.67) | ALDH1A1CYP1A2POLBMCL1CCR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |